SCHEMBL8300851

SCHEMBL8300851

C[C@@H](c1ccc(NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)cc1)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC8 Q9BY41 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
CTSK P43235 5/20 0.41
CTSS P25774 4/20 0.41
AAK1 Q2M2I8 1/20 0.41
JAK3 P52333 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27613700 0.86 CTSS (0.48) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL27613630 0.86 CTSS (0.48) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL14488827 0.84 AAK1 (0.43) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL27613652 0.83 HDAC4 (0.61) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL5936151 0.83 MTOR (0.40) MEN1KMT2A
SCHEMBL14489165 0.83 MAP1LC3B (0.39) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL7425030 0.81 CTSS (0.49) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL1312367 0.77 SPHK1 (0.60) HDAC4HDAC1CTSK
SCHEMBL19931848 0.76 HDAC4 (0.49) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL30377330 0.76 HDAC4 (0.49) HDAC4HDAC1HDAC8HDAC3HDAC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
WO-2004110997-A1 3- SULFONYLAMINO- PYRROLIDINE- 2- ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2004-12-23 WO disclosed